3-methylidene-2,2-bis(1-octoxy-1-oxidanylidene-propan-2-yl)butanedioic acid

Systemtic Name: 3-methylidene-2,2-bis(1-octoxy-1-oxidanylidene-propan-2-yl)butanedioic acid Openeye Name: 3-methylene-2,2-bis(1-methyl-2-octoxy-2-oxo-ethyl)butanedioic acid CAS Name: 3-methylene-2,2-bis(1-octoxy-1-oxopropan-2-yl)butanedioic acid IUPAC Name: 3-methylidene-2,2-bis(1-octoxy-1-oxopropan-2-yl)butanedioic acid Traditional Name: 2,2-bis(2-keto-1-methyl-2-octoxy-ethyl)-3-methylene-succinic acid Formula: C27H46O8 MolecularWeight: 498.64934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)C(C(C)C(=O)OCCCCCCCC)(C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C(C)C(C(C)C(=O)OCCCCCCCC)(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C27H46O8/c1-6-8-10-12-14-16-18-34-24(30)21(4)27(26(32)33,20(3)23(28)29)22(5)25(31)35-19-17-15-13-11-9-7-2/h21-22H,3,6-19H2,1-2,4-5H3,(H,28,29)(H,32,33)